Basic information
- CAS
259209-27-3- Standard SMILES
CC(C)(C)c1ccc(O)c(B(O)O)c1- InChIKey
KAHMKMRXTYEUCA-UHFFFAOYSA-N- Molecular formula
- C10H15BO3
- Average molar mass
- 194.04 g/mol
- Monoisotopic mass
- 194.1114245
Names & identifiers
- Preferred name
- (5-tert-Butyl-2-hydroxyphenyl)boronic acid
- IUPAC
- (5-tert-butyl-2-hydroxyphenyl)boronic acid
- English name
- Boronic acid, B-[5-(1,1-dimethylethyl)-2-hydroxyphenyl]-
- Molecular formula
- C10H15BO3
- Molecular weight
- 194.04
Names & synonyms
259209-27-3(5-tert-butyl-2-hydroxyphenyl)boronic acidDTXSID50595158RefChem:404197DTXCID00545921867-130-5(5-(tert-butyl)-2-hydroxyphenyl)boronic acidBoronic acid, [5-(1,1-dimethylethyl)-2-hydroxyphenyl]- (9CI)SCHEMBL7241535(5-(tert-butyl)-2-hydroxyphenyl)boronicacidEN300-6489791Z1504671619
Show more names
Boronic acid, B-[5-(1,1-dimethylethyl)-2-hydroxyphenyl]-
Database identifiers
- CAS
259209-27-3- PubChem CID
- 18616974
- DTXSID
DTXSID50595158- EC Number
- 867-130-5
- Nikkaji
- J1.614.379K
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 355.5 · 355.5±52.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 8.71 · 8.71±0.58(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers5 total
河北珠星新材料科技有限公司15383908907 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…